2,2,3,3-tetrafluoro-N,N'-bis(3-methoxypropyl)butanediamide

C12H20F4N2O4 — CID 2933513

IUPAC2,2,3,3-tetrafluoro-N,N'-bis(3-methoxypropyl)butanediamide
SMILESCOCCCNC(=O)C(F)(F)C(F)(F)C(=O)NCCCOC
InChIInChI=1S/C12H20F4N2O4/c1-21-7-3-5-17-9(19)11(13,14)12(15,16)10(20)18-6-4-8-22-2/h3-8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyNLDOUBQKWJMSKU-UHFFFAOYSA-N
MW332.29 g/mol
LogP0.56
Rot. Bonds11

About 2,2,3,3-tetrafluoro-N,N'-bis(3-methoxypropyl)butanediamide

2,2,3,3-tetrafluoro-N,N'-bis(3-methoxypropyl)butanediamide (PubChem CID 2933513) has the molecular formula C12H20F4N2O4 and a molecular weight of 332.29 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N,N'-bis(3-methoxypropyl)butanediamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N,N'-bis(3-methoxypropyl)butanediamide
PubChem CID2933513
Molecular FormulaC12H20F4N2O4
Molecular Weight332.29 g/mol
Exact Mass332.14
IUPAC Name2,2,3,3-tetrafluoro-N,N'-bis(3-methoxypropyl)butanediamide
SMILESCOCCCNC(=O)C(F)(F)C(F)(F)C(=O)NCCCOC
InChIInChI=1S/C12H20F4N2O4/c1-21-7-3-5-17-9(19)11(13,14)12(15,16)10(20)18-6-4-8-22-2/h3-8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyNLDOUBQKWJMSKU-UHFFFAOYSA-N
XLogP0.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3-tetrafluoro-N,N'-dipropylbutanediamide
CID 2292957
N'-fluoro-N-(3-methoxypropyl)butanediamide
CID 59335540
2,2,2-trifluoro-N-[3-[4-[(2,2,2-trifluoroacetyl)amino]butan-2-yloxy]butyl]acetamide
CID 142800671
N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide
CID 145401045
N'-[2-(2-aminoethoxy)ethyl]-N-(3,3,3-trifluoropropyl)butanediamide
CID 170312273
N-(3-ethoxy-3-methylbutyl)-N'-(3,3,3-trifluoropropyl)butanediamide
CID 170312322
2,2,3,3-tetrafluoro-N,N'-bis(3-hydroxypropyl)butanediamide
CID 3124695
2,2,3,3-tetrafluoro-N,N'-dipentylbutanediamide
CID 3300480
2,2,3,3,4,4,5,5,5-nonafluoro-N-(3-methoxypropyl)pentanamide
CID 3498655
N,N'-dibutyl-2,2,3,3-tetrafluorobutanediamide
CID 3550173
2,2,3,3,4,4,4-heptafluoro-N-(3-methoxypropyl)butanamide
CID 4151241
2,2,3,3-tetrafluoro-N,N'-di(propan-2-yl)butanediamide
CID 4176785

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N,N'-bis(3-methoxypropyl)butanediamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N,N'-bis(3-methoxypropyl)butanediamide (CID 2933513) is 2,2,3,3-tetrafluoro-N,N'-bis(3-methoxypropyl)butanediamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N,N'-bis(3-methoxypropyl)butanediamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N,N'-bis(3-methoxypropyl)butanediamide is COCCCNC(=O)C(F)(F)C(F)(F)C(=O)NCCCOC.
What is the InChIKey of 2,2,3,3-tetrafluoro-N,N'-bis(3-methoxypropyl)butanediamide?
The InChIKey is NLDOUBQKWJMSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F4N2O4/c1-21-7-3-5-17-9(19)11(13,14)12(15,16)10(20)18-6-4-8-22-2/h3-8H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2,2,3,3-tetrafluoro-N,N'-bis(3-methoxypropyl)butanediamide?
2,2,3,3-tetrafluoro-N,N'-bis(3-methoxypropyl)butanediamide has a molecular weight of 332.29 g/mol, XLogP of 0.56, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N,N'-bis(3-methoxypropyl)butanediamide is sourced from PubChem (CID 2933513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).